(16α,17Beta)-17-Hydroxy-3-(Sulfooxy)Estra-1(10),2,4-Trien-16-Yl Beta-D-Glucopyranosiduronic Acid

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Formula C24H32O12S
IUPAC Name (2s,3s,4s,5r,6s)-6-[[(8r,9s,13s,14s,16r,17r)-17-hydroxy-13-methyl-3-sulfonatooxy-6,7,8,9,11,12,14,15,16,17-decahydro-2h-cyclopenta[a]phenanthren-2-id-16-yl]oxy]-3,4,5-trioxido-tetrahydropyran-2,3,4-triide-2-carboxylate
Molecular Mass 544.569 g·mol−1
Heat of Formation -934.7 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 570.99 Å 3
Surface Area 463.84 Å 2
Point Group Symmetry C1
InChIKey ATNWFRGUDKUYOG-JRSYHJKYSA-N
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